SCHEMBL29097979

SCHEMBL29097979

CC(C)(C)OC(=O)C1NCCc2c(F)cc(O)cc21

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 7/20 0.33
MAPK1 P28482 1/20 0.33
HTR2A P28223 3/20 0.31
HTR2C P28335 3/20 0.31
MAPKAPK5 Q8IW41 1/20 0.31
HTR2B P41595 2/20 0.31
HTR1A P08908 1/20 0.30
DRD4 P21917 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30
HTR1E P28566 1/20 0.30
SLC6A4 P31645 1/20 0.30
HTR7 P34969 1/20 0.30
HTR5A P47898 1/20 0.30
HTR6 P50406 1/20 0.30
KDM1A O60341 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29098070 0.86 MAPKAPK2 (0.33) MAPKAPK2MAPK1HTR2AHTR2CMAPKAPK5
SCHEMBL30829407 0.79 ESR2 (0.43) MAPKAPK2KDM1A
SCHEMBL30829412 0.79 ESR2 (0.43) MAPKAPK2KDM1A
SCHEMBL29244507 0.78 MAPK1 (0.34) MAPKAPK2MAPK1MAPKAPK5HTR2BHTR1A
SCHEMBL8470413 0.75 CA1 (0.43) MAPKAPK2KDM1A
SCHEMBL28970118 0.75 MAPK1 (0.33) MAPK1
SCHEMBL29097871 0.72 DRD2 (0.49) DRD4KDM1A
SCHEMBL3283792 0.71 TSHR (0.38) MAPKAPK2MAPKAPK5DRD4HTR5A
SCHEMBL7694988 0.70 TSHR (0.60) SLC6A4
SCHEMBL30829405 0.70 TSHR (0.60) SLC6A4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115594669-A Fused ring derivative and preparation method and medical application thereof 深圳信立泰药业股份有限公司(CN) 2023-01-13 CN disclosed